SCHEMBL8090519

SCHEMBL8090519

CC1SCN(c2cccc(C(F)(F)F)c2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.46
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
AR P10275 1/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
MAPT P10636 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DRD2 P14416 1/20 0.43
DRD3 P35462 1/20 0.43
CA12 O43570 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6508550 0.84 CA12 (0.43) HTR7MEN1KMT2AALDH1A1KDM4E
SCHEMBL8788747 0.83 CA12 (0.45) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL5827269 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL6509757 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1DRD2DRD3
SCHEMBL8787665 0.83 MEN1 (0.43) MEN1KMT2AALDH1A1NPC1TP53
SCHEMBL8789224 0.81 NPC1 (0.44) HTR7ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL8788601 0.80 CCR2 (0.42) MEN1KMT2AALDH1A1KDM4EMAPK1
SCHEMBL8790062 0.79 CFTR (0.41) HTR7MEN1KMT2AALDH1A1KDM4E
SCHEMBL8787447 0.78 HTR7 (0.40) HTR7ALDH1A1KDM4EMAPK1HSD17B10
SCHEMBL766087 0.77 CFTR (0.44) MEN1KMT2AALDH1A1TP53DRD2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672038-B1 HERBICIDES ZENECA LTD (GB) 2000-01-19 EP disclosed
US-5856273-A CONTROLLING WEEDS ZENECA LIMITED (GB) 1999-01-05 US disclosed
WO-1994013652-A1 HERBICIDES ZENECA LIMITED (GB) 1994-06-23 WO disclosed